Mol:FL5FFANS0013

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.4197    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8633   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8633    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8633   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8633    1.1146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6716   -0.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5376   -1.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7769    1.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7769    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2769    1.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26   -2.7769      0.77
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    2.0624    1.4543
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22    0.0044   -0.6973
S  SKP  8
ID	FL5FFANS0013
KNApSAcK_ID	C00004620
NAME	Herbacetin 3,7,4'-trimethyl ether
CAS_RN	58902-16-2
FORMULA	C18H16O7
EXACTMASS	344.089602866
AVERAGEMASS	344.31543999999997
SMILES	c(c1O)(OC)cc(c(C2=O)c(OC(c(c3)ccc(OC)c3)=C2OC)1)O
M  END

</pre>